[AMBER] Query about LMOD

From: gunajyoti das <guna_das78.yahoo.co.in>
Date: Thu, 25 Feb 2010 17:23:31 +0530 (IST)

Dear Amber Users,
   I tried to do LMOD minimization and by using the following (written below) "min.in" file I got only a "min.out" file but did not get any "min.rst" file. Kindly help me how write the "min.in" file if I want to get a global minimum for my system.
   I am attaching the "min.out" file.
   My "min.in" is
 
energy minimisation
&cntrl
imin = 1,
ntmin = 4,
maxcyc = 50000,
ntb = 0,
igb = 1,
cut = 12,
/
 
Thank you,
 
Gunajyoti The INTERNET now has a personality. YOURS! See your Yahoo! Homepage. http://in.yahoo.com/

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Received on Thu Feb 25 2010 - 04:00:02 PST
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